(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine

C16H21NO — CID 104946484

IUPAC(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H21NO/c1-10-2-5-15-13(6-10)14(17)9-16(18-15)8-11-3-4-12(16)7-11/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3/t11?,12?,14-,16?/m0/s1
InChIKeyZXKFOJGEBSAHPV-VWVFYJPSSA-N
MW243.35 g/mol
LogP3.34
Rot. Bonds

About (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine

(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine (PubChem CID 104946484) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine.

Molecular Properties

Compound Name(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
PubChem CID104946484
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H21NO/c1-10-2-5-15-13(6-10)14(17)9-16(18-15)8-11-3-4-12(16)7-11/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3/t11?,12?,14-,16?/m0/s1
InChIKeyZXKFOJGEBSAHPV-VWVFYJPSSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104947093
(4R)-2',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946560
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
CID 114715429
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709631
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114709726
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The IUPAC name of (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine (CID 104946484) is (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine.
What is the SMILES notation for (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The canonical SMILES for (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine is Cc1ccc2c(c1)[C@@H](N)CC1(CC3CCC1C3)O2.
What is the InChIKey of (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
The InChIKey is ZXKFOJGEBSAHPV-VWVFYJPSSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-2-5-15-13(6-10)14(17)9-16(18-15)8-11-3-4-12(16)7-11/h2,5-6,11-12,14H,3-4,7-9,17H2,1H3/t11?,12?,14-,16?/m0/s1.
What are the key properties of (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine?
(4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methylspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine is sourced from PubChem (CID 104946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).